SCHEMBL3689226

SCHEMBL3689226

CCCC(=O)SCCC[Si](OCC)(OCC)OCC

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29488613 0.94 ALDH1A1 (0.32) ALDH1A1
SCHEMBL29488599 0.92 CES2 (0.34) ALDH1A1
SCHEMBL4454855 0.91 CES1 (0.34) ALDH1A1
SCHEMBL3689569 0.91 ALDH1A1 (0.31) ALDH1A1
SCHEMBL29488608 0.90 ALDH1A1 (0.32) ALDH1A1
SCHEMBL98072 0.90 CES2 (0.36) ALDH1A1
SCHEMBL4968748 0.88 CES2 (0.38) ALDH1A1
SCHEMBL75725 0.88 CES2 (0.38) ALDH1A1
SCHEMBL6056905 0.88 CES2 (0.38) ALDH1A1
SCHEMBL21049765 0.88 CES2 (0.38) ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7847000-B2 Silica-filled elastomeric compounds LANXESS INC. (CA) 2010-12-07 US claimed
EP-1680469-B1 SILICA-FILLED ELASTOMERIC COMPOUNDS LANXESS INC (CA) 2009-01-07 EP claimed
EP-1680469-A4 SILICA-FILLED ELASTOMERIC COMPOUNDS LANXESS INC (CA) 2007-09-05 EP claimed
JP-2007509209-A 2007-04-12 JP claimed
US-20060293423-A1 Silica-filled elastomeric compounds LANXESS INC. (CA) 2006-12-28 US claimed
EP-1680469-A1 SILICA-FILLED ELASTOMERIC COMPOUNDS Lanxess Inc. (CA) 2006-07-19 EP claimed
WO-2005040272-A1 SILICA-FILLED ELASTOMERIC COMPOUNDS LANXESS INC. (CA) 2005-05-06 WO claimed
US-7847000-B2 Silica-filled elastomeric compounds LANXESS INC. (CA) 2010-12-07 US disclosed
EP-1680469-B1 SILICA-FILLED ELASTOMERIC COMPOUNDS LANXESS INC (CA) 2009-01-07 EP disclosed
US-20080242771-A1 Butyl Rubber Composition for Tire Treads LANXESS INC. (CA) 2008-10-02 US disclosed
EP-1680469-A4 SILICA-FILLED ELASTOMERIC COMPOUNDS LANXESS INC (CA) 2007-09-05 EP disclosed
US-20060293423-A1 Silica-filled elastomeric compounds LANXESS INC. (CA) 2006-12-28 US disclosed
EP-1694764-A1 BUTYL RUBBER COMPOSITION FOR TIRE TREADS Lanxess Inc. (CA) 2006-08-30 EP disclosed
EP-1680469-A1 SILICA-FILLED ELASTOMERIC COMPOUNDS Lanxess Inc. (CA) 2006-07-19 EP disclosed
WO-2005056664-A1 BUTYL RUBBER COMPOSITION FOR TIRE TREADS LANXESS INC. (CA) 2005-06-23 WO disclosed
WO-2005040272-A1 SILICA-FILLED ELASTOMERIC COMPOUNDS LANXESS INC. (CA) 2005-05-06 WO disclosed